Compound Detail
CHEMBL3114394
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Basic Information
| ChEMBL ID | CHEMBL3114394 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VHWLIENBFXTZEV-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
282.3
MW (Da)
2.83
ALogP
5
HBA
2
HBD
97.2
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trichomonas vaginalis CHEMBL612884 | IC50 | 5.91 | 5.905 | 1226.0 | 2 |
| Giardia intestinalis CHEMBL612652 | IC50 | 5.11 | 5.105 | 7826.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trichomonas vaginalis | IC50 | = | 1226.0 | nM | 5.91 | Antimicrobial activity against Trichomonas vaginalis GT3 incubated for 48 hrs fo... | 24529307 |
| Trichomonas vaginalis | IC50 | = | 1258.93 | nM | 5.9 | Antimicrobial activity against Trichomonas vaginalis GT3 incubated for 48 hrs fo... | 24529307 |
| Giardia intestinalis | IC50 | = | 7826.0 | nM | 5.11 | Antimicrobial activity against Giardia intestinalis IMSS:0696:1 incubated for 48... | 24529307 |
| Giardia intestinalis | IC50 | = | 7943.28 | nM | 5.1 | Antimicrobial activity against Giardia intestinalis IMSS:0696:1 incubated for 48... | 24529307 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24529307 | 10.1016/j.bmc.2014.01.029 | Trichomonas vaginalis | 2 |
| 24529307 | 10.1016/j.bmc.2014.01.029 | Giardia intestinalis | 2 |
| 24529307 | 10.1016/j.bmc.2014.01.029 | Vero | 1 |
| 24529307 | 10.1016/j.bmc.2014.01.029 | Trypanosoma cruzi | 1 |
| 24529307 | 10.1016/j.bmc.2014.01.029 | Leishmania amazonensis | 1 |
Data from ChEMBL 36 via Core Engine